ChemSpider 2D Image | (3-Methyl-1,2,4-oxadiazol-5-yl)methyl 5-bromo-2-(dimethylamino)nicotinate | C12H13BrN4O3

(3-Methyl-1,2,4-oxadiazol-5-yl)methyl 5-bromo-2-(dimethylamino)nicotinate

  • Molecular FormulaC12H13BrN4O3
  • Average mass341.161 Da
  • Monoisotopic mass340.017090 Da
  • ChemSpider ID30217551

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3-Methyl-1,2,4-oxadiazol-5-yl)methyl 5-bromo-2-(dimethylamino)nicotinate [ACD/IUPAC Name]
(3-Methyl-1,2,4-oxadiazol-5-yl)methyl-5-brom-2-(dimethylamino)nicotinat [German] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 5-bromo-2-(dimethylamino)-, (3-methyl-1,2,4-oxadiazol-5-yl)methyl ester [ACD/Index Name]
5-Bromo-2-(diméthylamino)nicotinate de (3-méthyl-1,2,4-oxadiazol-5-yl)méthyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 491.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.3±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 75.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 52.74
ACD/KOC (pH 5.5): 594.22
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 52.92
ACD/KOC (pH 7.4): 596.15
Polar Surface Area: 81 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 220.9±3.0 cm3

Click to predict properties on the Chemicalize site


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